3-[bis(2-oxidanylpropyl)sulfamoyl]benzoic acid

Systemtic Name: 3-[bis(2-oxidanylpropyl)sulfamoyl]benzoic acid Openeye Name: 3-[bis(2-hydroxypropyl)sulfamoyl]benzoic acid CAS Name: 3-[bis(2-hydroxypropyl)sulfamoyl]benzoic acid IUPAC Name: 3-[bis(2-hydroxypropyl)sulfamoyl]benzoic acid Traditional Name: 3-[bis(2-hydroxypropyl)sulfamoyl]benzoic acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC(C)O)S(=O)(=O)C1=CC=CC(=C1)C(=O)O)O

Isomeric SMILES

CC(CN(CC(C)O)S(=O)(=O)C1=CC=CC(=C1)C(=O)O)O

InChI

InChI=1S/C13H19NO6S/c1-9(15)7-14(8-10(2)16)21(19,20)12-5-3-4-11(6-12)13(17)18/h3-6,9-10,15-16H,7-8H2,1-2H3,(H,17,18)